REMARK  Name = BDB062246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.146  -0.223  -0.143  0.00  0.00    +0.198 A 
ATOM      2  N   LIG    1        0.868  -1.047   0.711  0.00  0.00    -0.284 N 
ATOM      3  C   LIG    1        0.258  -2.208   1.338  0.00  0.00    +0.155 C 
ATOM      4  C   LIG    1        2.199  -0.789   1.014  0.00  0.00    +0.263 A 
ATOM      5  O   LIG    1        2.892  -1.506   1.734  0.00  0.00    -0.267 OA
ATOM      6  C   LIG    1        2.772   0.437   0.410  0.00  0.00    +0.067 A 
ATOM      7  C   LIG    1        1.962   1.157  -0.373  0.00  0.00    +0.128 A 
ATOM      8  N   LIG    1        0.665   0.851  -0.664  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1        4.161   0.853   0.644  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        5.255   0.246   0.011  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.084  -0.899  -0.946  0.00  0.00    +0.066 C 
ATOM     12  N   LIG    1        6.536   0.655   0.213  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        6.742   1.678   1.070  0.00  0.00    +0.111 A 
ATOM     14  C   LIG    1        5.727   2.334   1.740  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1        4.419   1.916   1.520  0.00  0.00    +0.012 A 
ENDBRANCH   6   9
BRANCH   1  16
ATOM     16  N   LIG    1       -1.152  -0.554  -0.440  0.00  0.00    -0.311 N 
ATOM     17  H   LIG    1       -1.390  -1.534  -0.376  0.00  0.00    +0.149 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.890   0.131  -1.488  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.337  -0.265  -1.419  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -4.168   0.142  -0.378  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -3.859   0.942   0.832  0.00  0.00    +0.080 C 
ATOM     22  C   LIG    1       -5.283   1.222   1.312  0.00  0.00    +0.234 C 
ATOM     23  O   LIG    1       -6.169   0.211   0.775  0.00  0.00    -0.491 OA
ATOM     24  C   LIG    1       -5.497  -0.260  -0.322  0.00  0.00    +0.124 A 
ATOM     25  C   LIG    1       -6.060  -1.077  -1.280  0.00  0.00    +0.049 A 
ATOM     26  C   LIG    1       -5.250  -1.491  -2.337  0.00  0.00    +0.042 A 
ATOM     27  C   LIG    1       -3.909  -1.086  -2.398  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1       -3.158  -1.520  -3.421  0.00  0.00    -0.205 F 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 4